[gmx-users] Problems with grompp

[Anton Feenstra]

Dallas Warren wrote:
> 
>>             Last week I did the same calculation and everything went 
>> fine. Can someone guess what is happening ? ..
> 
> 
> Something happened to the ff###.atp file on the machine you are running 
> it on, you are running it on a different machine which has a different 
> ff###.atp file, or you are selecting a different ff### in the .top file.

grompp doesn't read the .atp files. It must be something to do with
your ff*.itp files. grompp does use cpp as the first step in parsing
your .top & .itp files, perhaps a new version has been installed that
masses things up (or it has been removed/misplaced)?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
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